3 # three sites class 1 site 0.0 -0.528902226860823 0.0 orient 0.0 0.0 0.0 # 0.0, -2/3 sin 7pi/24, 0.0 class 1 site 0.608761429008721 0.264451113430412 0.0 orient 0.0 0.0 0.0 # cos 7pi/24, 1/3 sin 7pi/24, 0.0 class 1 site -0.608761429008721 0.264451113430412 0.0 orient 0.0 0.0 0.0 # -cos 7pi/24, 1/3 sin 7pi/24, 0.0 matrix # lj sig eps rep att 1 1 lj 1.0 1.0 1.0 1.0